UCSF

ZINC37246868

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 30 Yes

Other Names:

MFCD03931297

MFCD09868643

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.55 10.12 -16.87 0 10 0 139 426.418 12
Hi High (pH 8-9.5) 0.84 10 -47.07 0 10 -1 145 425.41 11
Hi High (pH 8-9.5) 2.13 10.11 -47.81 0 10 -1 145 425.41 12

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5102793 IBM Patent Data

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.